N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H16N4OS — CID 133342162

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cnc(CNc2ncnc3sccc23)o1
InChIInChI=1S/C14H16N4OS/c1-14(2,3)10-6-15-11(19-10)7-16-12-9-4-5-20-13(9)18-8-17-12/h4-6,8H,7H2,1-3H3,(H,16,17,18)
InChIKeyOUDIFFFZOYABMA-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.59
Rot. Bonds3

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133342162) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133342162
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cnc(CNc2ncnc3sccc23)o1
InChIInChI=1S/C14H16N4OS/c1-14(2,3)10-6-15-11(19-10)7-16-12-9-4-5-20-13(9)18-8-17-12/h4-6,8H,7H2,1-3H3,(H,16,17,18)
InChIKeyOUDIFFFZOYABMA-UHFFFAOYSA-N
XLogP3.59
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133342162) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CC(C)(C)c1cnc(CNc2ncnc3sccc23)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OUDIFFFZOYABMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-14(2,3)10-6-15-11(19-10)7-16-12-9-4-5-20-13(9)18-8-17-12/h4-6,8H,7H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133342162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).